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CAS 3019-19-0 Phenyl tert-butyl sulfide molecular structure lightbox
CAS RN: 3019-19-0

Phenyl tert-butyl sulfide

  • Product code: SSC-133931
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3019-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3019-19-0 / tert-butylsulfanylbenzene

Standard CAS: 3019-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3019-19-0
Multi CAS
No
Molecular Formula
C10H14S
Molecular Weight
166.290000
Exact Mass
166.081622
InChI
InChI=1S/C10H14S/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
VEUCZKAZCRSEMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.05
TPSA
25.3000

LogP / Solubility

WLOGP
3.58
MLOGP
3.14
XLogP3
2.8
Consensus LogP
3.17
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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